1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene

C26H37F3O — CID 126566440

IUPAC1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
SMILESC/C=C/CCCC(CCC)CCCC1CC=C(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H37F3O/c1-3-5-6-7-10-21(9-4-2)11-8-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)30-26(27,28)29/h3,5,15,17-22H,4,6-14,16H2,1-2H3/b5-3+
InChIKeyMZQVUWZYBSTXLZ-HWKANZROSA-N
MW422.58 g/mol
LogP9.10
Rot. Bonds12

About 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene

1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene (PubChem CID 126566440) has the molecular formula C26H37F3O and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
PubChem CID126566440
Molecular FormulaC26H37F3O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
SMILESC/C=C/CCCC(CCC)CCCC1CC=C(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H37F3O/c1-3-5-6-7-10-21(9-4-2)11-8-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)30-26(27,28)29/h3,5,15,17-22H,4,6-14,16H2,1-2H3/b5-3+
InChIKeyMZQVUWZYBSTXLZ-HWKANZROSA-N
XLogP9.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.58
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-hexyl-2-[4-[4-(trifluoromethoxy)phenyl]cyclohex-3-en-1-yl]-1,3-dioxane
CID 167341455
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-(4-heptylcyclohexen-1-yl)-4-octoxybenzene
CID 57078730
[4-(4-butylcyclohexen-1-yl)phenyl] butanoate
CID 57232993
1-(4-butylcyclohexen-1-yl)-4-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67732093
1-pentoxy-4-(4-propylcyclohexen-1-yl)benzene
CID 57220140
1-[4-[4-(4-butylcyclohexen-1-yl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-pent-3-enylbenzene
CID 77343763
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
4-hex-4-enyl-1-methylcyclohexene
CID 173420371
1-[4-(2-methylbutyl)cyclohexen-1-yl]-4-[4-(4-pentylcyclohexen-1-yl)phenyl]benzene
CID 20538151
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene (CID 126566440) is 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene is C/C=C/CCCC(CCC)CCCC1CC=C(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene?
The InChIKey is MZQVUWZYBSTXLZ-HWKANZROSA-N. The full InChI is InChI=1S/C26H37F3O/c1-3-5-6-7-10-21(9-4-2)11-8-12-22-13-15-23(16-14-22)24-17-19-25(20-18-24)30-26(27,28)29/h3,5,15,17-22H,4,6-14,16H2,1-2H3/b5-3+.
What are the key properties of 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene?
1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene has a molecular weight of 422.58 g/mol, XLogP of 9.10, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-4-propyldec-8-enyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 126566440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).